Search results for: Gaussian mixture model

Authors: M. A. Omoloye, M. I. Yusuff, O. K. S. Emiola

Abstract:

The use of mathematical models for solving biological problems varies from simple to complex analyses, depending on the nature of the research problems and applicability of the models. The method is more common nowadays. Many complex models become impractical when transmitted analytically. However, alternative approach such as numerical method can be employed. It appropriateness in solving linear and non-linear model equation in Differential Transformation Method (DTM) which depends on Taylor series make it applicable. Hence this study investigates the application of DTM to solve dynamic transmission of Lassa fever model in a population. The mathematical model was formulated using first order differential equation. Firstly, existence and uniqueness of the solution was determined to establish that the model is mathematically well posed for the application of DTM. Numerically, simulations were conducted to compare the results obtained by DTM and that of fourth-order Runge-Kutta method. As shown, DTM is very effective in predicting the solution of epidemics of Lassa fever model.

Keywords: Differential Transform Method, Existence and uniqueness, Lassa fever, Runge-Kutta Method.

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Authors: Ahmad Puad Mat Som, Mohammad Bader Badarneh

Abstract:

Tourism researchers have recently focused on repeat visitation as a part of destination loyalty. Different models have also considered satisfaction as the main determinant of revisit intention, while findings in many studies show it as a continuous issue. This conceptual paper attempts at evaluating recent empirical studies on satisfaction and revisit intention. Based on limitations and gaps in recent studies, the current paper suggests a new model that would be more comprehensive than those in previous studies. The new model offers new relationships between antecedents (destination image, perceived value, specific novelty seeking, and distance to destination) and both of satisfaction and revisit intention. Revisit intention in turn is suggested to be measured in a temporal approach.

Keywords: Satisfaction, revisit intention, a new model.

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Authors: Y. Sunecher, N. Mamode Khan, V. Jowaheer

Abstract:

This paper considers the modelling of a non-stationary bivariate integer-valued autoregressive moving average of order one (BINARMA(1,1)) with correlated Poisson innovations. The BINARMA(1,1) model is specified using the binomial thinning operator and by assuming that the cross-correlation between the two series is induced by the innovation terms only. Based on these assumptions, the non-stationary marginal and joint moments of the BINARMA(1,1) are derived iteratively by using some initial stationary moments. As regards to the estimation of parameters of the proposed model, the conditional maximum likelihood (CML) estimation method is derived based on thinning and convolution properties. The forecasting equations of the BINARMA(1,1) model are also derived. A simulation study is also proposed where BINARMA(1,1) count data are generated using a multivariate Poisson R code for the innovation terms. The performance of the BINARMA(1,1) model is then assessed through a simulation experiment and the mean estimates of the model parameters obtained are all efficient, based on their standard errors. The proposed model is then used to analyse a real-life accident data on the motorway in Mauritius, based on some covariates: policemen, daily patrol, speed cameras, traffic lights and roundabouts. The BINARMA(1,1) model is applied on the accident data and the CML estimates clearly indicate a significant impact of the covariates on the number of accidents on the motorway in Mauritius. The forecasting equations also provide reliable one-step ahead forecasts.

Keywords: Non-stationary, BINARMA(1, 1) model, Poisson Innovations, CML

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Authors: Gaurav Kumar, Rakesh Kumar Bajaj

Abstract:

The applicability of Net Present Value (NPV) in an investment project is becoming more and more popular in the field of engineering economics. The classical NPV methodology involves only the precise and accurate data of the investment project. In the present communication, we give a new mathematical model for NPV which uses the concept of intuitionistic fuzzy set theory. The proposed model is based on triangular intuitionistic fuzzy number, which may be known as Intuitionistic Fuzzy Net Present Value (IFNPV). The model has been applied to an example and the results are presented.

Keywords: Net Present Value, Intuitionistic Fuzzy Set, Investment Projects.

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Authors: G. Sakar, F. Ç. Bolat

Abstract:

In this study free vibration analysis of aluminum honeycomb sandwich structures were carried out experimentally and numerically. The natural frequencies and mode shapes of sandwich structures fabricated with different configurations for clamped-free boundary condition were determined. The effects of lower and upper face sheet thickness, the core material thickness, cell diameter, cell angle and foil thickness on the vibration characteristics were examined. The numerical studies were performed with ANSYS package. While the sandwich structures were modeled in ANSYS the continuum model was used. Later, the numerical results were compared with the experimental findings.

Keywords: Sandwich structure, free vibration, numeric analysis, 3D model, continuum model.

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Authors: Chothmal, Basant Agarwal

Abstract:

Sentiment analysis means to classify a given review document into positive or negative polar document. Sentiment analysis research has been increased tremendously in recent times due to its large number of applications in the industry and academia. Sentiment analysis models can be used to determine the opinion of the user towards any entity or product. E-commerce companies can use sentiment analysis model to improve their products on the basis of users’ opinion. In this paper, we propose a new One-class Support Vector Machine (One-class SVM) based sentiment analysis model for movie review documents. In the proposed approach, we initially extract features from one class of documents, and further test the given documents with the one-class SVM model if a given new test document lies in the model or it is an outlier. Experimental results show the effectiveness of the proposed sentiment analysis model.

Keywords: Feature selection methods, Machine learning, NB, One-class SVM, Sentiment Analysis, Support Vector Machine.

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Authors: Razieh Arian, Hadi Adibi-Asl

Abstract:

This paper investigates an efficient combustion modeling for cycle simulation of internal combustion engine (ICE) studies. The term “efficient model” means that the models must generate desired simulation results while having fast simulation time. In other words, the efficient model is defined based on the application of the model. The objective of this study is to develop math-based models for control applications or shortly control-oriented models. This study compares different modeling approaches used to model the ICEs such as mean-value models, zero dimensional, quasi-dimensional, and multi-dimensional models for control applications. Mean-value models have been widely used for model-based control applications, but recently by developing advanced simulation tools (e.g. Maple/MapleSim) the higher order models (more complex) could be considered as control-oriented models. This paper presents the enhanced zero-dimensional cycle-by-cycle modeling and simulation of a spark ignition engine with a two-zone combustion model. The simulation results are cross-validated against the simulation results from GT-Power package and show a good agreement in terms of trends and values.

Keywords: Two-zone combustion, control-oriented model, wiebe function, internal combustion engine.

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Authors: Israel Núñez-Hernández, Peter C. Breedveld, Paul B. T. Weustink, Gilberto Gonzalez-A

Abstract:

This paper presents the use of phasor bond graphs to obtain the steady-state behavior of a synchronous generator. The phasor bond graph elements are built using 2D multibonds, which represent the real and imaginary part of the phasor. The dynamic bond graph model of a salient-pole synchronous generator is showed, and verified viz. a sudden short-circuit test. The reduction of the dynamic model into a phasor representation is described. The previous test is executed on the phasor bond graph model, and its steady-state values are compared with the dynamic response. Besides, the widely used power (torque)-angle curves are obtained by means of the phasor bond graph model, to test the usefulness of this model.

Keywords: Bond graphs, complex power, phasors, synchronous generator, short-circuit, open-circuit, power-angle curve.

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Authors: Kun Sri Budiasih, Chairil Anwar, Sri Juari Santosa, Hilda Ismail

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Some Chromium (III) complexes were synthesized with three amino acids: L Glutamic Acid, Glycine, and L-cysteine as the ligands, in order to provide a new supplement containing Cr(III) for patients with type 2 diabetes mellitus. The complexes have been prepared by refluxing a mixture of Chromium(III) chloride in aqueous solution with L-glutamic acid, Glycine, and L-cysteine after pH adjustment by sodium hydroxide. These complexes were characterized by Infrared and Uv-Vis spectrophotometer and Elemental analyzer. The product yields of four products were 87.50 and 56.76% for Cr-Glu complexes, 46.70% for Cr-Gly complex and 40.08% for Cr-Cys complex respectively. The predicted structure of the complexes are [Cr(glu)2(H2O)2].xH2O, Cr(gly)3..xH2O and Cr(cys)3.xH2O., respectively.

Keywords: Cr(III), L-Cysteine L-glutamic Acid, Glycine, complexation.

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Authors: Rizik Al-Sayyed, Colin Pattinson, Tony Dacre

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This paper presents the findings of two experiments that were performed on the Redundancy in Wireless Connection Model (RiWC) using the 802.11b standard. The experiments were simulated using OPNET 11.5 Modeler software. The first was aimed at finding the maximum number of simultaneous Voice over Internet Protocol (VoIP) users the model would support under the G.711 and G.729 codec standards when the packetization interval was 10 milliseconds (ms). The second experiment examined the model?s VoIP user capacity using the G.729 codec standard along with background traffic using the same packetization interval as in the first experiment. To determine the capacity of the model under various experiments, we checked three metrics: jitter, delay and data loss. When background traffic was added, we checked the response time in addition to the previous three metrics. The findings of the first experiment indicated that the maximum number of simultaneous VoIP users the model was able to support was 5, which is consistent with recent research findings. When using the G.729 codec, the model was able to support up to 16 VoIP users; similar experiments in current literature have indicated a maximum of 7 users. The finding of the second experiment demonstrated that the maximum number of VoIP users the model was able to support was 12, with the existence of background traffic.

Keywords: WLAN, IEEE 802.11b, Codec, VoIP, OPNET, Background traffic, and QoS.

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Authors: S. Pancucci

Abstract:

Professional development is the focus of this study. It reports on questionnaire data that examined the perceived effectiveness of the Train the Trainer model of technology professional development for elementary teachers. Eighty-three selected teachers called Information Technology Coaches received four half-day and one after-school in-service sessions. Subsequently, coaches shared the information and skills acquired during training with colleagues. Results indicated that participants felt comfortable as Information Technology Coaches and felt well prepared because of their technological professional development. Overall, participants perceived the Train the Trainer model to be effective. The outcomes of this study suggest that the use of the Train the Trainer model, a known professional development model, can be an integral and interdependent component of the newer more comprehensive learning community professional development model.

Keywords: change, education, learning community, professional development, school improvement, technology coach, Train the Trainer.

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Authors: Gang Liu, Huimin Song, Can Wang, Runnan Zhang, Lu Fang

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Currently, resource sharing and system security are critical issues. This paper proposes a POL module composed of PRIV ILEGE attribute (PA), obligation and log which improves attribute based access control (ABAC) model in dynamically granting authorizations and revoking authorizations. The following describes the new model termed PABAC in terms of the POL module structure, attribute definitions, policy formulation and authorization architecture, which demonstrate the advantages of it. The POL module addresses the problems which are not predicted before and not described by access control policy. It can be one of the subject attributes or resource attributes according to the practical application, which enhances the flexibility of the model compared with ABAC. A scenario that illustrates how this model is applied to the real world is provided.

Keywords: Access control, attribute based access control, granting authorizations, privilege, revoking authorizations, system security.

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Authors: Bin Mu, Site Li, Shijin Yuan

Abstract:

Under the circumstance of environment deterioration, people are increasingly concerned about the quality of the environment, especially air quality. As a result, it is of great value to give accurate and timely forecast of AQI (air quality index). In order to simplify influencing factors of air quality in a city, and forecast the city’s AQI tomorrow, this study used MATLAB software and adopted the method of constructing a mathematic model of PCA-GABP to provide a solution. To be specific, this study firstly made principal component analysis (PCA) of influencing factors of AQI tomorrow including aspects of weather, industry waste gas and IAQI data today. Then, we used the back propagation neural network model (BP), which is optimized by genetic algorithm (GA), to give forecast of AQI tomorrow. In order to verify validity and accuracy of PCA-GABP model’s forecast capability. The study uses two statistical indices to evaluate AQI forecast results (normalized mean square error and fractional bias). Eventually, this study reduces mean square error by optimizing individual gene structure in genetic algorithm and adjusting the parameters of back propagation model. To conclude, the performance of the model to forecast AQI is comparatively convincing and the model is expected to take positive effect in AQI forecast in the future.

Keywords: AQI forecast, principal component analysis, genetic algorithm, back propagation neural network model.

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Authors: Ridha Salhi, Mondher Labidi, Fethi Choubani

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Metamaterials have attracted much attention in recent years because of their electromagnetic exquisite proprieties. We will present, in this paper, the modeling of three metamaterial structures by equivalent circuit model. We begin by modeling the SRR (Split Ring Resonator), then we model the HIS (High Impedance Surfaces), and finally, we present the model of the CPW (Coplanar Wave Guide). In order to validate models, we compare the results obtained by an equivalent circuit models with numerical simulation.

Keywords: Metamaterials, SRR, HIS, CPW, IDC.

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Authors: Valeria M. Pequeno, Joao Carlos G. M. Pires

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Data Warehouses (DWs) are repositories which contain the unified history of an enterprise for decision support. The data must be Extracted from information sources, Transformed and integrated to be Loaded (ETL) into the DW, using ETL tools. These tools focus on data movement, where the models are only used as a means to this aim. Under a conceptual viewpoint, the authors want to innovate the ETL process in two ways: 1) to make clear compatibility between models in a declarative fashion, using correspondence assertions and 2) to identify the instances of different sources that represent the same entity in the real-world. This paper presents the overview of the proposed framework to model the ETL process, which is based on the use of a reference model and perspective schemata. This approach provides the designer with a better understanding of the semantic associated with the ETL process.

Keywords: conceptual data model, correspondence assertions, data warehouse, data integration, ETL process, object relational database.

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Authors: Beata Jackowska-Zduniak

Abstract:

We formulate and analyze a mathematical model describing dynamics of the hypothalamus-pituitary-thyroid homoeostatic mechanism in endocrine system. We introduce to this system two types of couplings and delay. In our model, feedback controls the secretion of thyroid hormones and delay reflects time lags required for transportation of the hormones. The influence of delayed feedback on the stability behaviour of the system is discussed. Analytical results are illustrated by numerical examples of the model dynamics. This system of equations describes normal activity of the thyroid and also a couple of types of malfunctions (e.g. hyperthyroidism).

Keywords: Mathematical modeling, ordinary differential equations, endocrine system, stability analysis.

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Authors: Zainal Abidin Akasah, Maizam Alias, Azuin Ramli

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The safety and health performances aspects of a building are the most challenging aspect of facility management. It requires a deep understanding by the building managers on the factors that contribute to health and safety performances. This study attempted to develop an explanatory architectural safety performance model for stratified low-cost housing in Malaysia. The proposed Building Safety and Health Performance (BSHP) model was tested empirically through a survey on 308 construction practitioners using partial least squares (PLS) and structural equation modelling (SEM) tool. Statistical analysis results supports the conclusion that architecture, building services, external environment, management approaches and maintenance management have positive influence on safety and health performance of stratified low-cost housing in Malaysia. The findings provide valuable insights for construction industry to introduce BSHP model in the future where the model could be used as a guideline for training purposes of managers and better planning and implementation of building management.

Keywords: Building management, stratified low-cost housing, Safety and health model

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Authors: Trevor Sabiston, Mohsen Mohammadi, Mohammed Cherkaoui, Kaan Inal

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A new micromechanics framework is developed for long fibre reinforced composites using a single fibre surrounded by a functionally graded interphase and matrix as a representative unit cell. The unit cell is formulated to represent any number of aligned fibres by a single fibre. Using this model the elastic response of long fibre composites is predicted in all directions. The model is calibrated to experimental results and shows very good agreement in the elastic regime. The differences between the proposed model and existing models are discussed.

Keywords: Computational mechanics, functionally graded interphase, long fibre composites, micromechanics.

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Authors: J. Mirzaei, H. Kazemi Kargar

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This paper presents a new approach for setting frequency relays based on the dynamic of power system. A simplified model of the power system based on the load-frequency control loop will be developed to be used instead of the complete model of the power system. The effects of the equipments and their responses on the frequency variations of the power plant will be investigated and then a method for adaptive settings of frequency relays will be explained. The proposed method will be investigated by analyzing a simplified model of a power plant by MATLAB software.

Keywords: Adaptive Settings, Frequency Relay (FR), PowerSystem Dynamics, SFR model.

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Authors: Peter Odero Akuon

Abstract:

A rain cell ratio model is proposed that computes attenuation of the smallest rain cell which represents the maximum rain rate value i.e. the cell size when rainfall rate is exceeded 0.01% of the time, R_0.01 and predicts attenuation for other cells as the ratio with this maximum. This model incorporates the dependence of the path factor r on the ellipsoidal path variation of the Fresnel zone at different frequencies. In addition, the inhomogeneity of rainfall is modeled by a rain drop packing density factor. In order to derive the model, two empirical methods that can be used to find rain cell size distribution D_c are presented. Subsequently, attenuation measurements from different climatic zones for terrestrial radio links with frequencies F in the range 7-38 GHz are used to test the proposed model. Prediction results show that the path factor computed from the rain cell ratio technique has improved reliability when compared with other path factor and effective rain rate models, including the current ITU-R 530-15 model of 2013.

Keywords: Packing density of rain drops, prediction model, rain attenuation, rain cell ratio technique.

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Authors: Boukelkoul Lahcen

Abstract:

The cumulative costs for O&M may represent as much as 65%-90% of the turbine's investment cost. Nowadays the cost effectiveness concept becomes a decision-making and technology evaluation metric. The cost of energy metric accounts for the effect replacement cost and unscheduled maintenance cost parameters. One key of the proposed approach is the idea of maintaining the WTs which can be captured via use of a finite state Markov chain. Such a model can be embedded within a probabilistic operation and maintenance simulation reflecting the action to be done. In this paper, an approach of estimating the cost of O&M is presented. The finite state Markov model is used for decision problems with number of determined periods (life cycle) to predict the cost according to various options of maintenance.

Keywords: Cost, finite state, Markov model, operation, maintenance.

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Authors: Nicolas Delcey, Philippe Baucour, Didier Chamagne, Geneviève Wimmer, Auditeau Gérard, Bausseron Thomas, Bouger Odile, Blanvillain Gérard

Abstract:

This paper proposes a thermal study of the catenary/pantograph interface for a train in motion. A 2.5D complex model of the pantograph strip has been defined and created by a coupling between a 1D and a 2D model. Experimental and simulation results are presented and with a comparison allow validating the 2.5D model. Some physical phenomena are described and presented with the help of the model such as the stagger motion thermal effect, particular heats and the effect of the material characteristics. Finally it is possible to predict the critical thermal configuration during a train trip.

Keywords: 2.5D modelling, pantograph/catenary liaison, sliding contact, Joule effect, moving heat source.

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Authors: Raghad Jawad Ahmed

Abstract:

Segmentation of a color image composed of different kinds of regions can be a hard problem, namely to compute for an exact texture fields. The decision of the optimum number of segmentation areas in an image when it contains similar and/or un stationary texture fields. A novel neighborhood-based segmentation approach is proposed. A genetic algorithm is used in the proposed segment-pass optimization process. In this pass, an energy function, which is defined based on Markov Random Fields, is minimized. In this paper we use an adaptive threshold estimation method for image thresholding in the wavelet domain based on the generalized Gaussian distribution (GGD) modeling of sub band coefficients. This method called Normal Shrink is computationally more efficient and adaptive because the parameters required for estimating the threshold depend on sub band data energy that used in the pre-stage of segmentation. A quad tree is employed to implement the multi resolution framework, which enables the use of different strategies at different resolution levels, and hence, the computation can be accelerated. The experimental results using the proposed segmentation approach are very encouraging.

Keywords: Color image segmentation, Genetic algorithm, Markov random field, Scale space filter.

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Authors: Asrul H. Yaacob, Nazrul M. Ahmad, Nurul N. Ahmad, Mardeni Roslee

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The proliferation of web application and the pervasiveness of mobile technology make web-based attacks even more attractive and even easier to launch. Web Application Firewall (WAF) is an intermediate tool between web server and users that provides comprehensive protection for web application. WAF is a negative security model where the detection and prevention mechanisms are based on predefined or user-defined attack signatures and patterns. However, WAF alone is not adequate to offer best defensive system against web vulnerabilities that are increasing in number and complexity daily. This paper presents a methodology to automatically design a positive security based model which identifies and allows only legitimate web queries. The paper shows a true positive rate of more than 90% can be achieved.

Keywords: Intrusion Detection System, Positive Security Model, Web application Firewall

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Authors: A. Hortacsu, A. Tektas

Abstract:

This paper aims to develop a model that assists the international retailer in selecting the country that maximizes the degree of fit between the retailer-s goals and the country characteristics in his initial internationalization move. A two-stage multi criteria decision model is designed integrating the Analytic Hierarchy Process (AHP) and Goal Programming. Ethical, cultural, geographic and economic proximity are identified as the relevant constructs of the internationalization decision. The constructs are further structured into sub-factors within analytic hierarchy. The model helps the retailer to integrate, rank and weigh a number of hard and soft factors and prioritize the countries accordingly. The model has been implemented on a Turkish luxury goods retailer who was planning to internationalize. Actual entry of the specific retailer in the selected country is a support for the model. Implementation on a single retailer limits the generalizability of the results; however, the emphasis of the paper is on construct identification and model development. The paper enriches the existing literature by proposing a hybrid multi objective decision model which introduces new soft dimensions i.e. perceived distance, ethical proximity, humane orientation to the decision process and facilitates effective decision making.

Keywords: Analytic hierarchy process, culture, ethics, goal programming, retail foreign market selection.

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Authors: A. G. Matveev

Abstract:

The copyrights system is a combination of different elements. The number, content and the correlation of these elements are different for different legal orders. The models of copyrights systems display this system in terms of the interaction of economic and author's moral rights. Monistic and dualistic models are the most popular ones. The article deals with different points of view on the monism and dualism in copyright system. A specific model of the copyright in Switzerland in the XXth century is analyzed. The evolution of a French dualistic model of copyright is shown. The author believes that one should talk not about one, but rather about a number of dualism forms of copyright system.

Keywords: Copyright, exclusive copyright, economic rights, author's moral rights, rights of personality, monistic model, dualistic model.

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Authors: Saowapa Phaithayawat

Abstract:

The purposes of this study are 1) to study the impact of the 3-community-core model: House (H), Temple (T), and School (S) with the co-operation of official departments on community development to ASEAN economic community involvement and 2) to study the procedures and extension of the model. The research which is a qualitative research is based on the formal and informal interviews. Local people in a community are observed. Group interview is, also, operated by executors and cooperators in the school in the community. In terms of social and cultural dimension, the 3-community-core model consisting of house, temple and school is the base of Thai cultures bringing about understanding, happiness and unity to the community. The result of this research is that the official departments in accompanied with this model developers cooperatively work together in the community to support such factors as budget, plan, activities. Moreover, the need of community, and the continual result to sustain the community are satisfied by the model implementation. In terms of the procedures of the model implementation, executors and co-operators can work, coordinate, think, and launch their public relation altogether. Concerning the model development, this enables the community to achieve its goal to prepare the community’s readiness for ASEAN Economic Community involvement.

Keywords: ASEAN Economic Community, Community Development.

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Authors: Akram Hosseinian, Hourieh Rezaei, Ali Reza Mahjoub

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Nanostructured Iron Oxide with different morphologies of rod-like and granular have been suc-cessfully prepared via a solid-state reaction in the presence of NaCl, NaBr, NaI and NaN3, respectively. The added salts not only prevent a drastic increase in the size of the products but also provide suitable conditions for the oriented growth of primary nanoparticles. The formation mechanisms of these materials by solid-state reaction at ambient temperature are proposed. The photocatalytic experiments for congo red (CR) have demonstrated that the mixture of α-Fe2O3 and Fe3O4 nanostructures were more efficient than α-Fe2O3 nanostructures.

Keywords: Nano, Iron Oxide, Solid-State, Halide salts, Congored

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Authors: Han Bing, Yin Zhenjie

Abstract:

In order to analyze the status of a diesel engine, as well as conduct fault prediction, a new prediction model based on a gray system is proposed in this paper, which takes advantage of the neural network and the genetic algorithm. The proposed GBPGA prediction model builds on the GM (1.5) model and uses a neural network, which is optimized by a genetic algorithm to construct the error compensator. We verify our proposed model on the diesel faulty simulation data and the experimental results show that GBPGA has the potential to employ fault prediction on diesel.

Keywords: Fault prediction, Neural network, GM (1.5), Genetic algorithm, GBPGA.

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Authors: Madhusudan Purohit, Stephen Philip, Bharathkumar Inturi

Abstract:

In this paper we report the quantitative structure activity relationship of novel bis-triazole derivatives for predicting the activity profile. The full model encompassed a dataset of 46 Bis- triazoles. Tripos Sybyl X 2.0 program was used to conduct CoMSIA QSAR modeling. The Partial Least-Squares (PLS) analysis method was used to conduct statistical analysis and to derive a QSAR model based on the field values of CoMSIA descriptor. The compounds were divided into test and training set. The compounds were evaluated by various CoMSIA parameters to predict the best QSAR model. An optimum numbers of components were first determined separately by cross-validation regression for CoMSIA model, which were then applied in the final analysis. A series of parameters were used for the study and the best fit model was obtained using donor, partition coefficient and steric parameters. The CoMSIA models demonstrated good statistical results with regression coefficient (r²) and the cross-validated coefficient (q²) of 0.575 and 0.830 respectively. The standard error for the predicted model was 0.16322. In the CoMSIA model, the steric descriptors make a marginally larger contribution than the electrostatic descriptors. The finding that the steric descriptor is the largest contributor for the CoMSIA QSAR models is consistent with the observation that more than half of the binding site area is occupied by steric regions.

Keywords: 3D QSAR, CoMSIA, Triazoles.

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